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update json

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Anthony Scemama 2021-06-09 23:44:56 +02:00
parent fe4a4fa99b
commit 15a2386360
1 changed files with 12 additions and 11 deletions
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trex.json
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@ -37,17 +37,18 @@
} ,
"basis": {
"type" : [ "str" , [] ]
, "shell_num" : [ "int" , [] ]
, "shell_center" : [ "int" , [ "basis.shell_num" ] ]
, "shell_ang_mom" : [ "int" , [ "basis.shell_num" ] ]
, "shell_prim_num" : [ "int" , [ "basis.shell_num" ] ]
, "shell_factor" : [ "float", [ "basis.shell_num" ] ]
, "prim_index" : [ "int" , [ "basis.shell_num" ] ]
, "prim_num" : [ "int" , [] ]
, "exponent" : [ "float", [ "basis.prim_num" ] ]
, "coefficient" : [ "float", [ "basis.prim_num" ] ]
, "prim_factor" : [ "float", [ "basis.prim_num" ] ]
"type" : [ "str" , [] ]
, "num" : [ "int" , [] ]
, "prim_num" : [ "int" , [] ]
, "nucleus_index" : [ "int" , [ "nucleus.num" ] ]
, "nucleus_shell_num" : [ "int" , [ "nucleus.num" ] ]
, "shell_ang_mom" : [ "int" , [ "basis.num" ] ]
, "shell_prim_num" : [ "int" , [ "basis.num" ] ]
, "shell_factor" : [ "float", [ "basis.num" ] ]
, "shell_prim_index" : [ "int" , [ "basis.num" ] ]
, "exponent" : [ "float", [ "basis.prim_num" ] ]
, "coefficient" : [ "float", [ "basis.prim_num" ] ]
, "prim_factor" : [ "float", [ "basis.prim_num" ] ]
} ,
"ao": {